4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-(2-methylpropyl)pyridine-3-carboxamide

C22H28Br2N2O — CID 22153006

IUPAC4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-(2-methylpropyl)pyridine-3-carboxamide
SMILESCCc1cc(Br)cc(CC)c1NC(=O)c1c(C)nc(C)c(CC(C)C)c1Br
InChIInChI=1S/C22H28Br2N2O/c1-7-15-10-17(23)11-16(8-2)21(15)26-22(27)19-14(6)25-13(5)18(20(19)24)9-12(3)4/h10-12H,7-9H2,1-6H3,(H,26,27)
InChIKeyZEPVOWODENGGBI-UHFFFAOYSA-N
MW496.29 g/mol
LogP6.80
Rot. Bonds6

About 4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-(2-methylpropyl)pyridine-3-carboxamide

4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 22153006) has the molecular formula C22H28Br2N2O and a molecular weight of 496.29 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID22153006
Molecular FormulaC22H28Br2N2O
Molecular Weight496.29 g/mol
Exact Mass494.06
IUPAC Name4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-(2-methylpropyl)pyridine-3-carboxamide
SMILESCCc1cc(Br)cc(CC)c1NC(=O)c1c(C)nc(C)c(CC(C)C)c1Br
InChIInChI=1S/C22H28Br2N2O/c1-7-15-10-17(23)11-16(8-2)21(15)26-22(27)19-14(6)25-13(5)18(20(19)24)9-12(3)4/h10-12H,7-9H2,1-6H3,(H,26,27)
InChIKeyZEPVOWODENGGBI-UHFFFAOYSA-N
XLogP6.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.29
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-(2-methylpropyl)pyridine-3-carboxamide (CID 22153006) is 4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-(2-methylpropyl)pyridine-3-carboxamide is CCc1cc(Br)cc(CC)c1NC(=O)c1c(C)nc(C)c(CC(C)C)c1Br.
What is the InChIKey of 4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is ZEPVOWODENGGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Br2N2O/c1-7-15-10-17(23)11-16(8-2)21(15)26-22(27)19-14(6)25-13(5)18(20(19)24)9-12(3)4/h10-12H,7-9H2,1-6H3,(H,26,27).
What are the key properties of 4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-(2-methylpropyl)pyridine-3-carboxamide?
4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 496.29 g/mol, XLogP of 6.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 22153006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).